N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide

C11H17N3O4S2 — CID 106321152

IUPACN,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2sc(=O)[nH]c2C)C1
InChIInChI=1S/C11H17N3O4S2/c1-7-8(19-10(16)13-7)20(17,18)14-5-4-11(2,6-14)9(15)12-3/h4-6H2,1-3H3,(H,12,15)(H,13,16)
InChIKeySFXYKSXRHDSHPP-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.11
Rot. Bonds3

About N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide (PubChem CID 106321152) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
PubChem CID106321152
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(S(=O)(=O)c2sc(=O)[nH]c2C)C1
InChIInChI=1S/C11H17N3O4S2/c1-7-8(19-10(16)13-7)20(17,18)14-5-4-11(2,6-14)9(15)12-3/h4-6H2,1-3H3,(H,12,15)(H,13,16)
InChIKeySFXYKSXRHDSHPP-UHFFFAOYSA-N
XLogP-0.11
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
CID 106150904
1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317548
1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 43132258
1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317535
1-(2-chloroethylsulfonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321277
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 103501139
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
CID 113336018
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944
4-methyl-N-[(1-methylcyclopentyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63831628
5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 62775754
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 113418411
4-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 63175000

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide (CID 106321152) is N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(S(=O)(=O)c2sc(=O)[nH]c2C)C1.
What is the InChIKey of N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
The InChIKey is SFXYKSXRHDSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-7-8(19-10(16)13-7)20(17,18)14-5-4-11(2,6-14)9(15)12-3/h4-6H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106321152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).